N,N-bis(prop-2-enyl)-2-[1-(propylamino)ethyl]aniline

C17H26N2 — CID 43283869

IUPACN,N-bis(prop-2-enyl)-2-[1-(propylamino)ethyl]aniline
SMILESC=CCN(CC=C)c1ccccc1C(C)NCCC
InChIInChI=1S/C17H26N2/c1-5-12-18-15(4)16-10-8-9-11-17(16)19(13-6-2)14-7-3/h6-11,15,18H,2-3,5,12-14H2,1,4H3
InChIKeyXLUNGSQARZWVEW-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.93
Rot. Bonds9

About N,N-bis(prop-2-enyl)-2-[1-(propylamino)ethyl]aniline

N,N-bis(prop-2-enyl)-2-[1-(propylamino)ethyl]aniline (PubChem CID 43283869) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N,N-bis(prop-2-enyl)-2-[1-(propylamino)ethyl]aniline.

Molecular Properties

Compound NameN,N-bis(prop-2-enyl)-2-[1-(propylamino)ethyl]aniline
PubChem CID43283869
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC NameN,N-bis(prop-2-enyl)-2-[1-(propylamino)ethyl]aniline
SMILESC=CCN(CC=C)c1ccccc1C(C)NCCC
InChIInChI=1S/C17H26N2/c1-5-12-18-15(4)16-10-8-9-11-17(16)19(13-6-2)14-7-3/h6-11,15,18H,2-3,5,12-14H2,1,4H3
InChIKeyXLUNGSQARZWVEW-UHFFFAOYSA-N
XLogP3.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[1-(methylamino)ethyl]-N,N-bis(prop-2-enyl)aniline
CID 43283871
N-ethyl-N-phenyl-2-[1-(propylamino)ethyl]aniline
CID 43284277
N-benzyl-N-methyl-2-[1-(propylamino)ethyl]aniline
CID 43284092
N-cyclopentyl-N-methyl-2-[1-(propylamino)ethyl]aniline
CID 43284594
N-methyl-N-[2-[1-(propylamino)ethyl]phenyl]cycloheptanamine
CID 43614164
N-cyclohexyl-N-methyl-2-[1-(propylamino)ethyl]aniline
CID 43284184
(1S)-1-[2-[ethyl(prop-2-enyl)amino]phenyl]propan-1-ol
CID 103960311
3-[N-methyl-2-[1-(propylamino)ethyl]anilino]propanenitrile
CID 43284304
5-bromo-N-cyclopropyl-N-prop-2-enyl-2-[1-(propylamino)ethyl]aniline
CID 82968406
2-N,2-N-bis(prop-2-enyl)benzene-1,2-diamine;but-1-ene
CID 175301373
N-methyl-N-(2-methylcyclohexyl)-2-[1-(propylamino)ethyl]aniline
CID 63532695
N-ethyl-2-[1-(ethylamino)ethyl]-N-methylaniline
CID 43284520

Frequently Asked Questions

What is the IUPAC name of N,N-bis(prop-2-enyl)-2-[1-(propylamino)ethyl]aniline?
The IUPAC name of N,N-bis(prop-2-enyl)-2-[1-(propylamino)ethyl]aniline (CID 43283869) is N,N-bis(prop-2-enyl)-2-[1-(propylamino)ethyl]aniline.
What is the SMILES notation for N,N-bis(prop-2-enyl)-2-[1-(propylamino)ethyl]aniline?
The canonical SMILES for N,N-bis(prop-2-enyl)-2-[1-(propylamino)ethyl]aniline is C=CCN(CC=C)c1ccccc1C(C)NCCC.
What is the InChIKey of N,N-bis(prop-2-enyl)-2-[1-(propylamino)ethyl]aniline?
The InChIKey is XLUNGSQARZWVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-5-12-18-15(4)16-10-8-9-11-17(16)19(13-6-2)14-7-3/h6-11,15,18H,2-3,5,12-14H2,1,4H3.
What are the key properties of N,N-bis(prop-2-enyl)-2-[1-(propylamino)ethyl]aniline?
N,N-bis(prop-2-enyl)-2-[1-(propylamino)ethyl]aniline has a molecular weight of 258.41 g/mol, XLogP of 3.93, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(prop-2-enyl)-2-[1-(propylamino)ethyl]aniline is sourced from PubChem (CID 43283869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).